(2R)-2-(azepan-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCCCCC3

InChI

InChI=1S/C17H24N2O3/c1-13(19-8-4-2-3-5-9-19)17(20)18-14-6-7-15-16(12-14)22-11-10-21-15/h6-7,12-13H,2-5,8-11H2,1H3,(H,18,20)/p+1/t13-/m1/s1